SCHEMBL16986904

SCHEMBL16986904

Cc1cc2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(OC(=O)Nc6cccc(F)c6)CC5)cc4)nc3n2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.51
BCHE P06276 2/20 0.46
AKT1 P31749 9/20 0.44
AKT2 P31751 6/20 0.44
CHRM4 P08173 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 3/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16986824 0.94 BCHE (0.52) CCR3BCHEAKT1AKT2CHRM4
SCHEMBL16986833 0.93 BCHE (0.46) CCR3BCHEAKT1AKT2CHRM2
SCHEMBL16986917 0.93 BCHE (0.46) CCR3BCHEAKT1AKT2CHRM4
SCHEMBL16986925 0.93 BCHE (0.48) CCR3BCHEAKT1AKT2CHRM4
SCHEMBL16986853 0.92 BCHE (0.46) CCR3BCHEAKT1AKT2CHRM4
SCHEMBL16986892 0.91 CHRM2 (0.47) CCR3BCHEAKT1AKT2CHRM4
SCHEMBL16986872 0.91 AKT1 (0.45) CCR3BCHEAKT1AKT2CHRM2
SCHEMBL235731 0.91 AKT1 (0.54) CCR3AKT1AKT2POLBKMT2A
SCHEMBL16986855 0.90 BCHE (0.48) CCR3BCHEAKT1AKT2CHRM4
SCHEMBL16986826 0.90 CHRM4 (0.44) CCR3BCHEAKT1AKT2CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP claimed